CAS RN: 876890-28-7
2-ETHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251123 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS876890-28-7
- Purity/Analytical Methods: >99.0%
876890-28-7 / 2-ethylsulfanylpyrimidine-5-carbaldehyde
Basic Information
CAS
876890-28-7
Multi CAS
No
Molecular Formula
C7H8N2OS
Molecular Weight
168.220000
Exact Mass
168.035734
InChI
InChI=1S/C7H8N2OS/c1-2-11-7-8-3-6(5-10)4-9-7/h3-5H,2H2,1H3
InChIKey
GFSPUASKPCHMEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
43.82
TPSA
42.85
LogP / Solubility
WLOGP
1.4
MLOGP
1.23
XLogP3
0.9
Consensus LogP
1.18
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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